5-Chloronicotinic acid

Basic Information

View in Editor

CAS Number

22620-27-5

Molecular Formula

C6H4ClNO2

Molecular Weight

157.56 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

168.0 to 172.0 deg-C

Boiling Point

303.7℃ at 760 mmHg

Density

1.47

Flash Point

137.5℃

Refractive Index

1.59Molar

SMILES

View in Editor

C1=C(C=NC=C1Cl)C(=O)O

InChI

InChI=1S/C6H4ClNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)

InChIKey

XYLPLVUYPAPCML-UHFFFAOYSA-N

LogP

1.4332

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

140

Safety Information

View Safety Information

GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

5-chloropyridine-3-carboxylic acid
NCIOpen2_000015
MFCD00128901
PB25983
F1957-0008
AKOS000267484
SCHEMBL486309
NSC-63881
AJ-333/25006086
5-Chloronicotinic acid, AldrichCPR
BDBM50216546
HMS1655B02
AC-6148
W-206773
AM20061716
5-Chloronicotinic acid
SY013173
CHEMBL395178
C2399
BB 0246831
FT-0620295
EN300-61853
FS-2604
5-Chloro-nicotinic acid
DTXSID60289778
Z972756276
NSC63881
A816287
BCP21836
3-Pyridinecarboxylic acid, 5-chloro-
5-Chloro-3-pyridinecarboxylic Acid

MDL Number

MFCD00128901

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 5-Chloronicotinic acid (CAS: 22620-27-5)?

5-Chloronicotinic acid (CAS: 22620-27-5) is a crystalline solid with a molecular weight of approximately 143.57 g/mol. It has a solubility of about 12.8 g/100 mL in water at 20°C. This compound is moderately reactive, particularly towards nucleophilic substitution reactions. It is stable under normal conditions but should be stored in a dry, cool place to avoid hydrolysis.

How is 5-Chloronicotinic acid (CAS: 22620-27-5) typically synthesized?

5-Chloronicotinic acid (CAS: 22620-27-5) is typically synthesized by chlorination of nicotinic acid with thionyl chloride. The reaction is carried out in the presence of a solvent like dichloromethane, and a high yield is achieved. The reaction is selective and produces a pure product with good yield.

What industries use 5-Chloronicotinic acid (CAS: 22620-27-5)?

5-Chloronicotinic acid (CAS: 22620-27-5) is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, particularly in the production of nicotinic acid derivatives used as antihyperglycemic agents. It also finds applications in the chemical industry, where it is used in the synthesis of dyes and in the development of sensors due to its ability to form coordination complexes.

What precautions should be taken when handling 5-Chloronicotinic acid (CAS: 22620-27-5)?

When handling 5-Chloronicotinic acid (CAS: 22620-27-5), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area, preferably in a fume hood, to avoid inhalation. Spills should be cleaned up with caution, and proper safety data sheets (SDS) should be consulted for detailed instructions. Storage should be in a cool, dry place away from direct sunlight.